[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine

C13H24N6O — CID 105245121

IUPAC[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCCn1ncnc1CC(NN)C1CN2CCCC2CO1
InChIInChI=1S/C13H24N6O/c1-2-19-13(15-9-16-19)6-11(17-14)12-7-18-5-3-4-10(18)8-20-12/h9-12,17H,2-8,14H2,1H3
InChIKeyMFTCILFATUIAIF-UHFFFAOYSA-N
MW280.38 g/mol
LogP-0.46
Rot. Bonds5

About [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine

[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine (PubChem CID 105245121) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
PubChem CID105245121
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCCn1ncnc1CC(NN)C1CN2CCCC2CO1
InChIInChI=1S/C13H24N6O/c1-2-19-13(15-9-16-19)6-11(17-14)12-7-18-5-3-4-10(18)8-20-12/h9-12,17H,2-8,14H2,1H3
InChIKeyMFTCILFATUIAIF-UHFFFAOYSA-N
XLogP-0.46
TPSA81.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine with MolForge

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Related Compounds

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 79096058
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
CID 105245028
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)butylhydrazine
CID 105245001
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)propylhydrazine
CID 105245091
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(5-ethyl-2-pyridinyl)ethyl]hydrazine
CID 105245021
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105245097
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105245013
[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(4-chloro-1-ethylpyrazol-5-yl)methyl]hydrazine
CID 105245060
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 79095875
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-3-methylpentyl]hydrazine
CID 105245137
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclobutylethyl]hydrazine
CID 105245107
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(4-chloro-2-fluorophenyl)ethyl]hydrazine
CID 105245088

Frequently Asked Questions

What is the IUPAC name of [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine (CID 105245121) is [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine is CCn1ncnc1CC(NN)C1CN2CCCC2CO1.
What is the InChIKey of [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The InChIKey is MFTCILFATUIAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-2-19-13(15-9-16-19)6-11(17-14)12-7-18-5-3-4-10(18)8-20-12/h9-12,17H,2-8,14H2,1H3.
What are the key properties of [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine has a molecular weight of 280.38 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105245121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).